CID 16636976

2-[1-(2-methoxyethyl)-1h-1,3-benzodiazol-2-yl]ethan-1-amine

Structural Information

Molecular Formula
C12H17N3O
SMILES
COCCN1C2=CC=CC=C2N=C1CCN
InChI
InChI=1S/C12H17N3O/c1-16-9-8-15-11-5-3-2-4-10(11)14-12(15)6-7-13/h2-5H,6-9,13H2,1H3
InChIKey
KQHXLWPAALNTRT-UHFFFAOYSA-N
Compound name
2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

219.13716 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.144436 148.7
[M+Na]+ 242.126378 158.2
[M-H]- 218.129884 150.5
[M+NH4]+ 237.170983 167.4
[M+K]+ 258.100318 154.5
[M+H-H2O]+ 202.134420 140.9
[M+HCOO]- 264.135361 172.4
[M+CH3COO]- 278.151011 191.3
[M+Na-2H]- 240.111826 154.9
[M]+ 219.13661142 152.2
[M]- 219.13770858 152.2
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