CID 3024960

Crl 40897

Structural Information

Molecular Formula
C12H17NO
SMILES
CC1=CC=C(C=C1)C2CN(CCO2)C
InChI
InChI=1S/C12H17NO/c1-10-3-5-11(6-4-10)12-9-13(2)7-8-14-12/h3-6,12H,7-9H2,1-2H3
InChIKey
QSOOPCZZHJECSU-UHFFFAOYSA-N
Compound name
4-methyl-2-(4-methylphenyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

191.13101 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 143.0
[M+Na]+ 214.12023 149.4
[M-H]- 190.12373 148.5
[M+NH4]+ 209.16483 160.0
[M+K]+ 230.09417 148.1
[M+H-H2O]+ 174.12827 135.4
[M+HCOO]- 236.12921 161.8
[M+CH3COO]- 250.14486 183.9
[M+Na-2H]- 212.10568 148.6
[M]+ 191.13046 140.4
[M]- 191.13156 140.4
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.