CID 89875897

1472650-01-3

Structural Information

Molecular Formula
C9H13NO
SMILES
CC1=C(C(=CC=C1)N)COC
InChI
InChI=1S/C9H13NO/c1-7-4-3-5-9(10)8(7)6-11-2/h3-5H,6,10H2,1-2H3
InChIKey
PCTWTSUCWQMIJM-UHFFFAOYSA-N
Compound name
2-(methoxymethyl)-3-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

151.09972 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 130.9
[M+Na]+ 174.08894 139.4
[M-H]- 150.09244 134.7
[M+NH4]+ 169.13354 152.2
[M+K]+ 190.06288 137.7
[M+H-H2O]+ 134.09698 125.4
[M+HCOO]- 196.09792 156.2
[M+CH3COO]- 210.11357 179.7
[M+Na-2H]- 172.07439 137.0
[M]+ 151.09917 131.3
[M]- 151.10027 131.3
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