CID 75355685

4-(1h-1,2,3-triazol-1-yl)butan-1-amine

Structural Information

Molecular Formula
C6H12N4
SMILES
C1=CN(N=N1)CCCCN
InChI
InChI=1S/C6H12N4/c7-3-1-2-5-10-6-4-8-9-10/h4,6H,1-3,5,7H2
InChIKey
FXQOTTKAHLPLGZ-UHFFFAOYSA-N
Compound name
4-(triazol-1-yl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

140.1062 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.11348 129.0
[M+Na]+ 163.09542 136.8
[M-H]- 139.09892 127.9
[M+NH4]+ 158.14002 147.8
[M+K]+ 179.06936 135.3
[M+H-H2O]+ 123.10346 120.7
[M+HCOO]- 185.10440 151.7
[M+CH3COO]- 199.12005 174.8
[M+Na-2H]- 161.08087 135.7
[M]+ 140.10565 128.3
[M]- 140.10675 128.3
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

patents stripe