CID 116641992

2-[1-(cyclopropylmethyl)-1h-1,2,3-triazol-4-yl]ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C8H14N4
SMILES
C1CC1CN2C=C(N=N2)CCN
InChI
InChI=1S/C8H14N4/c9-4-3-8-6-12(11-10-8)5-7-1-2-7/h6-7H,1-5,9H2
InChIKey
AYEZDNZCTPGJSA-UHFFFAOYSA-N
Compound name
2-[1-(cyclopropylmethyl)triazol-4-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.12184 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.12912 142.4
[M+Na]+ 189.11106 152.3
[M-H]- 165.11456 145.4
[M+NH4]+ 184.15566 155.5
[M+K]+ 205.08500 148.0
[M+H-H2O]+ 149.11910 133.6
[M+HCOO]- 211.12004 164.9
[M+CH3COO]- 225.13569 183.7
[M+Na-2H]- 187.09651 147.1
[M]+ 166.12129 143.7
[M]- 166.12239 143.7
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.