CID 3024956

Crl 40875

Structural Information

Molecular Formula
C14H21NO
SMILES
CC1=CC=C(C=C1)C2CN(CCO2)C(C)C
InChI
InChI=1S/C14H21NO/c1-11(2)15-8-9-16-14(10-15)13-6-4-12(3)5-7-13/h4-7,11,14H,8-10H2,1-3H3
InChIKey
LYFCDGUMFHTYBW-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)-4-propan-2-ylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

219.16231 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.169586 152.4
[M+Na]+ 242.151528 157.7
[M-H]- 218.155034 157.6
[M+NH4]+ 237.196133 168.1
[M+K]+ 258.125468 156.3
[M+H-H2O]+ 202.159570 144.5
[M+HCOO]- 264.160511 169.4
[M+CH3COO]- 278.176161 190.8
[M+Na-2H]- 240.136976 155.6
[M]+ 219.16176142 149.9
[M]- 219.16285858 149.9
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