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]+ 192.138286 141.0
[M+Na]+ 214.120228 146.5
[M-H]- 190.123734 147.0
[M+NH4]+ 209.164833 153.8
[M+K]+ 230.094168 147.2
[M+H-H2O]+ 174.128270 129.1
[M+HCOO]- 236.129211 163.4
[M+CH3COO]- 250.144861 190.1
[M+Na-2H]- 212.105676 145.2
[M]+ 191.13046142 148.2
[M]- 191.13155858 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.