CID 65331543

1486891-58-0

Structural Information

Molecular Formula
C13H19NO
SMILES
CC1=CC(=CC=C1)CC(C2CCCO2)N
InChI
InChI=1S/C13H19NO/c1-10-4-2-5-11(8-10)9-12(14)13-6-3-7-15-13/h2,4-5,8,12-13H,3,6-7,9,14H2,1H3
InChIKey
MYJINOUQHVHLNH-UHFFFAOYSA-N
Compound name
2-(3-methylphenyl)-1-(oxolan-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.14667 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.15395 148.7
[M+Na]+ 228.13589 153.5
[M-H]- 204.13939 155.0
[M+NH4]+ 223.18049 167.4
[M+K]+ 244.10983 151.9
[M+H-H2O]+ 188.14393 142.1
[M+HCOO]- 250.14487 170.0
[M+CH3COO]- 264.16052 187.8
[M+Na-2H]- 226.12134 151.1
[M]+ 205.14612 145.4
[M]- 205.14722 145.4
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.