CID 11405

2-[2-(methylamino)propyl]phenol

Structural Information

Molecular Formula
C10H15NO
SMILES
CC(CC1=CC=CC=C1O)NC
InChI
InChI=1S/C10H15NO/c1-8(11-2)7-9-5-3-4-6-10(9)12/h3-6,8,11-12H,7H2,1-2H3
InChIKey
SAHBITMBCTXQOR-UHFFFAOYSA-N
Compound name
2-[2-(methylamino)propyl]phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

3
Patents

165.11537 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.12265 136.5
[M+Na]+ 188.10459 142.9
[M-H]- 164.10809 138.9
[M+NH4]+ 183.14919 156.4
[M+K]+ 204.07853 140.8
[M+H-H2O]+ 148.11263 130.8
[M+HCOO]- 210.11357 159.5
[M+CH3COO]- 224.12922 180.5
[M+Na-2H]- 186.09004 142.0
[M]+ 165.11482 135.3
[M]- 165.11592 135.3
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