CID 15034982

[3-(1h-imidazol-1-yl)propyl](methyl)amine

Structural Information

Molecular Formula
C7H13N3
SMILES
CNCCCN1C=CN=C1
InChI
InChI=1S/C7H13N3/c1-8-3-2-5-10-6-4-9-7-10/h4,6-8H,2-3,5H2,1H3
InChIKey
ZPMDRIAJBDFGCZ-UHFFFAOYSA-N
Compound name
3-imidazol-1-yl-N-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

333
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 129.1
[M+Na]+ 162.10017 136.4
[M-H]- 138.10367 129.8
[M+NH4]+ 157.14477 149.6
[M+K]+ 178.07411 135.1
[M+H-H2O]+ 122.10821 121.5
[M+HCOO]- 184.10915 153.5
[M+CH3COO]- 198.12480 175.6
[M+Na-2H]- 160.08562 136.4
[M]+ 139.11040 129.2
[M]- 139.11150 129.2
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