CID 124252051

2059917-75-6

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 139.8
[M+Na]+ 204.12197 148.9
[M+NH4]+ 199.16657 146.7
[M+K]+ 220.09591 148.2
[M-H]- 180.12547 140.5
[M+Na-2H]- 202.10742 145.0
[M]+ 181.13220 140.8
[M]- 181.13330 140.8
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.