CID 43400173

3-{[(1-cyclopropylethyl)amino]methyl}phenol

Structural Information

Molecular Formula
C12H17NO
SMILES
CC(C1CC1)NCC2=CC(=CC=C2)O
InChI
InChI=1S/C12H17NO/c1-9(11-5-6-11)13-8-10-3-2-4-12(14)7-10/h2-4,7,9,11,13-14H,5-6,8H2,1H3
InChIKey
BCRVUHIMXVHONU-UHFFFAOYSA-N
Compound name
3-[(1-cyclopropylethylamino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.13101 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 143.4
[M+Na]+ 214.12023 156.1
[M+NH4]+ 209.16483 152.6
[M+K]+ 230.09417 151.2
[M-H]- 190.12373 153.9
[M+Na-2H]- 212.10568 153.1
[M]+ 191.13046 149.2
[M]- 191.13156 149.2
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.