CID 4379480

4-(1h-imidazol-1-yl)butan-1-amine

Structural Information

Molecular Formula
C7H13N3
SMILES
C1=CN(C=N1)CCCCN
InChI
InChI=1S/C7H13N3/c8-3-1-2-5-10-6-4-9-7-10/h4,6-7H,1-3,5,8H2
InChIKey
JVZPYJSJSQIEOG-UHFFFAOYSA-N
Compound name
4-imidazol-1-ylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

231
Patents

139.11095 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.11823 129.3
[M+Na]+ 162.10017 136.6
[M-H]- 138.10367 129.5
[M+NH4]+ 157.14477 149.5
[M+K]+ 178.07411 135.0
[M+H-H2O]+ 122.10821 121.8
[M+HCOO]- 184.10915 153.1
[M+CH3COO]- 198.12480 174.9
[M+Na-2H]- 160.08562 135.6
[M]+ 139.11040 128.5
[M]- 139.11150 128.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe