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]+ 193.13355 141.9
[M+Na]+ 215.11549 146.8
[M-H]- 191.11899 147.0
[M+NH4]+ 210.16009 159.7
[M+K]+ 231.08943 145.5
[M+H-H2O]+ 175.12353 134.0
[M+HCOO]- 237.12447 164.2
[M+CH3COO]- 251.14012 183.0
[M+Na-2H]- 213.10094 148.2
[M]+ 192.12572 139.6
[M]- 192.12682 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.