CID 43742878

4-{[(5-methyl-1h-pyrazol-4-yl)methyl]amino}phenol

Structural Information

Molecular Formula
C11H13N3O
SMILES
CC1=C(C=NN1)CNC2=CC=C(C=C2)O
InChI
InChI=1S/C11H13N3O/c1-8-9(7-13-14-8)6-12-10-2-4-11(15)5-3-10/h2-5,7,12,15H,6H2,1H3,(H,13,14)
InChIKey
QSTMBNRKWLIAGA-UHFFFAOYSA-N
Compound name
4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.10587 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.113146 143.8
[M+Na]+ 226.095088 151.7
[M-H]- 202.098594 145.7
[M+NH4]+ 221.139693 160.4
[M+K]+ 242.069028 147.1
[M+H-H2O]+ 186.103130 135.9
[M+HCOO]- 248.104071 165.6
[M+CH3COO]- 262.119721 182.4
[M+Na-2H]- 224.080536 149.1
[M]+ 203.10532142 141.4
[M]- 203.10641858 141.4
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.