CID 13952859

3-(1h-imidazol-1-yl)-2-methylpropan-1-amine dihydrochloride

Structural Information

Molecular Formula
C7H13N3
SMILES
CC(CN)CN1C=CN=C1
InChI
InChI=1S/C7H13N3/c1-7(4-8)5-10-3-2-9-6-10/h2-3,6-7H,4-5,8H2,1H3
InChIKey
LFIAHNVTEYHKAO-UHFFFAOYSA-N
Compound name
3-imidazol-1-yl-2-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

139.11095 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.11823 130.3
[M+Na]+ 162.10017 137.3
[M-H]- 138.10367 130.6
[M+NH4]+ 157.14477 150.4
[M+K]+ 178.07411 136.2
[M+H-H2O]+ 122.10821 122.8
[M+HCOO]- 184.10915 153.0
[M+CH3COO]- 198.12480 175.7
[M+Na-2H]- 160.08562 135.3
[M]+ 139.11040 128.8
[M]- 139.11150 128.8
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