CID 13290799

4-(1h-imidazol-2-yl)butan-1-amine dihydrochloride

Structural Information

Molecular Formula
C7H13N3
SMILES
C1=CN=C(N1)CCCCN
InChI
InChI=1S/C7H13N3/c8-4-2-1-3-7-9-5-6-10-7/h5-6H,1-4,8H2,(H,9,10)
InChIKey
IMDBGSYBIGYHOE-UHFFFAOYSA-N
Compound name
4-(1H-imidazol-2-yl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

139.11095 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.11823 129.9
[M+Na]+ 162.10017 136.8
[M-H]- 138.10367 128.7
[M+NH4]+ 157.14477 149.3
[M+K]+ 178.07411 134.2
[M+H-H2O]+ 122.10821 122.6
[M+HCOO]- 184.10915 152.1
[M+CH3COO]- 198.12480 172.3
[M+Na-2H]- 160.08562 135.6
[M]+ 139.11040 127.1
[M]- 139.11150 127.1
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