CID 105425531

3-[1-(aminomethyl)cyclopropyl]phenol

Structural Information

Molecular Formula
C10H13NO
SMILES
C1CC1(CN)C2=CC(=CC=C2)O
InChI
InChI=1S/C10H13NO/c11-7-10(4-5-10)8-2-1-3-9(12)6-8/h1-3,6,12H,4-5,7,11H2
InChIKey
YTTPSBXUQNHXIU-UHFFFAOYSA-N
Compound name
3-[1-(aminomethyl)cyclopropyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.09972 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 131.4
[M+Na]+ 186.08894 140.8
[M-H]- 162.09244 137.8
[M+NH4]+ 181.13354 148.2
[M+K]+ 202.06288 137.8
[M+H-H2O]+ 146.09698 126.3
[M+HCOO]- 208.09792 155.1
[M+CH3COO]- 222.11357 180.6
[M+Na-2H]- 184.07439 139.0
[M]+ 163.09917 131.7
[M]- 163.10027 131.7
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.