CID 104441452

2-(4-cyclopropyl-1h-1,2,3-triazol-1-yl)ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C7H12N4
SMILES
C1CC1C2=CN(N=N2)CCN
InChI
InChI=1S/C7H12N4/c8-3-4-11-5-7(9-10-11)6-1-2-6/h5-6H,1-4,8H2
InChIKey
GFUMZGPBCAJZHH-UHFFFAOYSA-N
Compound name
2-(4-cyclopropyltriazol-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.1062 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.11348 138.3
[M+Na]+ 175.09542 148.6
[M-H]- 151.09892 141.5
[M+NH4]+ 170.14002 152.0
[M+K]+ 191.06936 144.6
[M+H-H2O]+ 135.10346 129.7
[M+HCOO]- 197.10440 161.2
[M+CH3COO]- 211.12005 180.9
[M+Na-2H]- 173.08087 143.5
[M]+ 152.10565 139.3
[M]- 152.10675 139.3
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.