CID 138102

Einecs 299-277-0

Structural Information

Molecular Formula
C10H15N
SMILES
CC1=CC=C(C=C1)CN(C)C
InChI
InChI=1S/C10H15N/c1-9-4-6-10(7-5-9)8-11(2)3/h4-7H,8H2,1-3H3
InChIKey
JAOPKYRWYXCGOQ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(4-methylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2232
Patents

149.12045 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.127726 131.8
[M+Na]+ 172.109668 139.1
[M-H]- 148.113174 137.1
[M+NH4]+ 167.154273 153.9
[M+K]+ 188.083608 138.4
[M+H-H2O]+ 132.117710 125.9
[M+HCOO]- 194.118651 157.6
[M+CH3COO]- 208.134301 183.9
[M+Na-2H]- 170.095116 138.5
[M]+ 149.11990142 133.0
[M]- 149.12099858 133.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe