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 138.5
[M+Na]+ 214.12023 146.0
[M-H]- 190.12373 144.7
[M+NH4]+ 209.16483 152.5
[M+K]+ 230.09417 142.5
[M+H-H2O]+ 174.12827 132.0
[M+HCOO]- 236.12921 161.6
[M+CH3COO]- 250.14486 188.2
[M+Na-2H]- 212.10568 144.0
[M]+ 191.13046 139.4
[M]- 191.13156 139.4
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.