CID 124252051

Rac-(3r,4s)-n,n-dimethyl-4-(1h-1,2,3-triazol-1-yl)pyrrolidin-3-amine trihydrochloride

Structural Information

Molecular Formula
C8H15N5
SMILES
CN(C)[C@@H]1CNC[C@@H]1N2C=CN=N2
InChI
InChI=1S/C8H15N5/c1-12(2)7-5-9-6-8(7)13-4-3-10-11-13/h3-4,7-9H,5-6H2,1-2H3/t7-,8+/m1/s1
InChIKey
HOQCNZLHAIYNKG-SFYZADRCSA-N
Compound name
(3R,4S)-N,N-dimethyl-4-(triazol-1-yl)pyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.13275 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.14003 140.3
[M+Na]+ 204.12197 147.0
[M-H]- 180.12547 141.9
[M+NH4]+ 199.16657 157.8
[M+K]+ 220.09591 145.9
[M+H-H2O]+ 164.13001 130.6
[M+HCOO]- 226.13095 160.1
[M+CH3COO]- 240.14660 152.1
[M+Na-2H]- 202.10742 142.6
[M]+ 181.13220 137.2
[M]- 181.13330 137.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.