CID 75480611

(dicyclopropyl-4h-1,2,4-triazol-3-yl)methanamine dihydrochloride

Structural Information

Molecular Formula
C9H14N4
SMILES
C1CC1C2=NN=C(N2C3CC3)CN
InChI
InChI=1S/C9H14N4/c10-5-8-11-12-9(6-1-2-6)13(8)7-3-4-7/h6-7H,1-5,10H2
InChIKey
RJYISRFFNVECTQ-UHFFFAOYSA-N
Compound name
(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.12184 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.12912 158.6
[M+Na]+ 201.11106 167.6
[M-H]- 177.11456 164.2
[M+NH4]+ 196.15566 165.0
[M+K]+ 217.08500 163.0
[M+H-H2O]+ 161.11910 150.8
[M+HCOO]- 223.12004 178.1
[M+CH3COO]- 237.13569 167.9
[M+Na-2H]- 199.09651 159.7
[M]+ 178.12129 160.5
[M]- 178.12239 160.5
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.