CID 82651857

2174002-45-8

Structural Information

Molecular Formula
C7H13N3O
SMILES
CC1=NN(C=C1CN)CCO
InChI
InChI=1S/C7H13N3O/c1-6-7(4-8)5-10(9-6)2-3-11/h5,11H,2-4,8H2,1H3
InChIKey
YVAJCRXLDZAPGJ-UHFFFAOYSA-N
Compound name
2-[4-(aminomethyl)-3-methylpyrazol-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.10587 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.11315 133.1
[M+Na]+ 178.09509 141.8
[M-H]- 154.09859 132.7
[M+NH4]+ 173.13969 152.6
[M+K]+ 194.06903 139.6
[M+H-H2O]+ 138.10313 126.3
[M+HCOO]- 200.10407 155.6
[M+CH3COO]- 214.11972 176.6
[M+Na-2H]- 176.08054 137.4
[M]+ 155.10532 132.5
[M]- 155.10642 132.5
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.