CID 199691

4760-36-5

Structural Information

Molecular Formula
C12H15N3O
SMILES
CC(=NOCC1=NC2=CC=CC=C2N1C)C
InChI
InChI=1S/C12H15N3O/c1-9(2)14-16-8-12-13-10-6-4-5-7-11(10)15(12)3/h4-7H,8H2,1-3H3
InChIKey
QLDKVEGPGBKPKC-UHFFFAOYSA-N
Compound name
N-[(1-methylbenzimidazol-2-yl)methoxy]propan-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

217.1215 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.128776 147.9
[M+Na]+ 240.110718 157.9
[M-H]- 216.114224 151.8
[M+NH4]+ 235.155323 167.5
[M+K]+ 256.084658 155.3
[M+H-H2O]+ 200.118760 140.0
[M+HCOO]- 262.119701 172.9
[M+CH3COO]- 276.135351 193.9
[M+Na-2H]- 238.096166 154.3
[M]+ 217.12095142 152.8
[M]- 217.12204858 152.8
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