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]+ 204.11315 143.8
[M+Na]+ 226.09509 151.7
[M-H]- 202.09859 145.7
[M+NH4]+ 221.13969 160.4
[M+K]+ 242.06903 147.1
[M+H-H2O]+ 186.10313 135.9
[M+HCOO]- 248.10407 165.6
[M+CH3COO]- 262.11972 182.4
[M+Na-2H]- 224.08054 149.1
[M]+ 203.10532 141.4
[M]- 203.10642 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.