CID 3156810

519144-57-1

Structural Information

Molecular Formula
C11H16N2O
SMILES
C1CC(OC1)CNCC2=CN=CC=C2
InChI
InChI=1S/C11H16N2O/c1-3-10(7-12-5-1)8-13-9-11-4-2-6-14-11/h1,3,5,7,11,13H,2,4,6,8-9H2
InChIKey
BLWNGJAZCOFDTM-UHFFFAOYSA-N
Compound name
1-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.12627 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.133546 141.9
[M+Na]+ 215.115488 146.8
[M-H]- 191.118994 147.0
[M+NH4]+ 210.160093 159.7
[M+K]+ 231.089428 145.5
[M+H-H2O]+ 175.123530 134.0
[M+HCOO]- 237.124471 164.2
[M+CH3COO]- 251.140121 183.0
[M+Na-2H]- 213.100936 148.2
[M]+ 192.12572142 139.6
[M]- 192.12681858 139.6
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

No patent data available for this compound.