CID 16776261

4-[(cyclopropylamino)methyl]phenol

Structural Information

Molecular Formula
C10H13NO
SMILES
C1CC1NCC2=CC=C(C=C2)O
InChI
InChI=1S/C10H13NO/c12-10-5-1-8(2-6-10)7-11-9-3-4-9/h1-2,5-6,9,11-12H,3-4,7H2
InChIKey
LKWSHXQLGSJANS-UHFFFAOYSA-N
Compound name
4-[(cyclopropylamino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

163.09972 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 130.2
[M+Na]+ 186.08894 138.9
[M-H]- 162.09244 136.7
[M+NH4]+ 181.13354 145.4
[M+K]+ 202.06288 135.4
[M+H-H2O]+ 146.09698 124.0
[M+HCOO]- 208.09792 154.9
[M+CH3COO]- 222.11357 181.6
[M+Na-2H]- 184.07439 137.9
[M]+ 163.09917 131.0
[M]- 163.10027 131.0
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

patents stripe