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

13
Patents

219.16231 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16959 152.4
[M+Na]+ 242.15153 157.7
[M-H]- 218.15503 157.6
[M+NH4]+ 237.19613 168.1
[M+K]+ 258.12547 156.3
[M+H-H2O]+ 202.15957 144.5
[M+HCOO]- 264.16051 169.4
[M+CH3COO]- 278.17616 190.8
[M+Na-2H]- 240.13698 155.6
[M]+ 219.16176 149.9
[M]- 219.16286 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