CID 24262370

{4-[(3-methylphenyl)methyl]morpholin-2-yl}methanamine

Structural Information

Molecular Formula
C13H20N2O
SMILES
CC1=CC(=CC=C1)CN2CCOC(C2)CN
InChI
InChI=1S/C13H20N2O/c1-11-3-2-4-12(7-11)9-15-5-6-16-13(8-14)10-15/h2-4,7,13H,5-6,8-10,14H2,1H3
InChIKey
UMDJSGAJEMJQCC-UHFFFAOYSA-N
Compound name
[4-[(3-methylphenyl)methyl]morpholin-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.15756 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.164836 152.9
[M+Na]+ 243.146778 158.0
[M-H]- 219.150284 157.6
[M+NH4]+ 238.191383 168.0
[M+K]+ 259.120718 155.8
[M+H-H2O]+ 203.154820 144.6
[M+HCOO]- 265.155761 171.7
[M+CH3COO]- 279.171411 191.2
[M+Na-2H]- 241.132226 157.1
[M]+ 220.15701142 148.9
[M]- 220.15810858 148.9
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

No patent data available for this compound.