CID 61336969

1-[5-(propan-2-yl)-1h-1,2,4-triazol-3-yl]ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C7H14N4
SMILES
CC(C)C1=NNC(=N1)C(C)N
InChI
InChI=1S/C7H14N4/c1-4(2)6-9-7(5(3)8)11-10-6/h4-5H,8H2,1-3H3,(H,9,10,11)
InChIKey
DRBNIMQCGWBAAI-UHFFFAOYSA-N
Compound name
1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

154.12184 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.12912 135.8
[M+Na]+ 177.11106 143.2
[M-H]- 153.11456 134.0
[M+NH4]+ 172.15566 153.6
[M+K]+ 193.08500 141.5
[M+H-H2O]+ 137.11910 128.2
[M+HCOO]- 199.12004 154.8
[M+CH3COO]- 213.13569 178.1
[M+Na-2H]- 175.09651 138.3
[M]+ 154.12129 132.8
[M]- 154.12239 132.8
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

patents stripe