CID 79616788

3-methoxy-1-(3-methylphenyl)butan-2-amine

Structural Information

Molecular Formula
C12H19NO
SMILES
CC1=CC(=CC=C1)CC(C(C)OC)N
InChI
InChI=1S/C12H19NO/c1-9-5-4-6-11(7-9)8-12(13)10(2)14-3/h4-7,10,12H,8,13H2,1-3H3
InChIKey
IUBWMXKCKORRKT-UHFFFAOYSA-N
Compound name
3-methoxy-1-(3-methylphenyl)butan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.14667 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.15395 146.3
[M+Na]+ 216.13589 152.0
[M-H]- 192.13939 149.3
[M+NH4]+ 211.18049 165.4
[M+K]+ 232.10983 150.4
[M+H-H2O]+ 176.14393 140.1
[M+HCOO]- 238.14487 168.5
[M+CH3COO]- 252.16052 189.4
[M+Na-2H]- 214.12134 148.9
[M]+ 193.14612 146.1
[M]- 193.14722 146.1
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.