CID 16227554

2-{5h,6h,7h-pyrrolo[2,1-c][1,2,4]triazol-3-yl}ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C7H12N4
SMILES
C1CC2=NN=C(N2C1)CCN
InChI
InChI=1S/C7H12N4/c8-4-3-7-10-9-6-2-1-5-11(6)7/h1-5,8H2
InChIKey
GESFEOZCDXMGFO-UHFFFAOYSA-N
Compound name
2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.1062 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.11348 131.4
[M+Na]+ 175.09542 140.0
[M-H]- 151.09892 131.7
[M+NH4]+ 170.14002 152.7
[M+K]+ 191.06936 138.2
[M+H-H2O]+ 135.10346 123.6
[M+HCOO]- 197.10440 153.2
[M+CH3COO]- 211.12005 144.5
[M+Na-2H]- 173.08087 136.2
[M]+ 152.10565 129.8
[M]- 152.10675 129.8
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.