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

1
Patents

163.09972 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.106996 130.2
[M+Na]+ 186.088938 138.9
[M-H]- 162.092444 136.7
[M+NH4]+ 181.133543 145.4
[M+K]+ 202.062878 135.4
[M+H-H2O]+ 146.096980 124.0
[M+HCOO]- 208.097921 154.9
[M+CH3COO]- 222.113571 181.6
[M+Na-2H]- 184.074386 137.9
[M]+ 163.09917142 131.0
[M]- 163.10026858 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