CID 19429523

3-(2,5-dimethyl-1h-imidazol-1-yl)propan-1-amine dihydrochloride

Structural Information

Molecular Formula
C8H15N3
SMILES
CC1=CN=C(N1CCCN)C
InChI
InChI=1S/C8H15N3/c1-7-6-10-8(2)11(7)5-3-4-9/h6H,3-5,9H2,1-2H3
InChIKey
ANCIUDQRZNKZKK-UHFFFAOYSA-N
Compound name
3-(2,5-dimethylimidazol-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

153.1266 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.13388 134.1
[M+Na]+ 176.11582 142.9
[M-H]- 152.11932 134.9
[M+NH4]+ 171.16042 154.4
[M+K]+ 192.08976 140.9
[M+H-H2O]+ 136.12386 127.0
[M+HCOO]- 198.12480 157.5
[M+CH3COO]- 212.14045 180.2
[M+Na-2H]- 174.10127 138.3
[M]+ 153.12605 134.3
[M]- 153.12715 134.3
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