CID 10726441

[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methanamine

Structural Information

Molecular Formula
C11H15NO2
SMILES
CC1(OCCO1)C2=CC=CC(=C2)CN
InChI
InChI=1S/C11H15NO2/c1-11(13-5-6-14-11)10-4-2-3-9(7-10)8-12/h2-4,7H,5-6,8,12H2,1H3
InChIKey
PAFHHQQXBXCRQR-UHFFFAOYSA-N
Compound name
[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

193.11028 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.117556 141.5
[M+Na]+ 216.099498 148.5
[M-H]- 192.103004 149.0
[M+NH4]+ 211.144103 161.5
[M+K]+ 232.073438 148.5
[M+H-H2O]+ 176.107540 135.9
[M+HCOO]- 238.108481 163.8
[M+CH3COO]- 252.124131 182.6
[M+Na-2H]- 214.084946 148.3
[M]+ 193.10973142 140.6
[M]- 193.11082858 140.6
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

patents stripe