CID 65459819

3-(cyclobutylmethoxy)-4-methylaniline hydrochloride

Structural Information

Molecular Formula
C12H17NO
SMILES
CC1=C(C=C(C=C1)N)OCC2CCC2
InChI
InChI=1S/C12H17NO/c1-9-5-6-11(13)7-12(9)14-8-10-3-2-4-10/h5-7,10H,2-4,8,13H2,1H3
InChIKey
GFMPEXKRNQFDMD-UHFFFAOYSA-N
Compound name
3-(cyclobutylmethoxy)-4-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.13101 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 141.0
[M+Na]+ 214.12023 146.5
[M-H]- 190.12373 147.0
[M+NH4]+ 209.16483 153.8
[M+K]+ 230.09417 147.2
[M+H-H2O]+ 174.12827 129.1
[M+HCOO]- 236.12921 163.4
[M+CH3COO]- 250.14486 190.1
[M+Na-2H]- 212.10568 145.2
[M]+ 191.13046 148.2
[M]- 191.13156 148.2
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

No patent data available for this compound.