CID 28600250

Methyl 2-{[(1-methyl-1h-pyrazol-4-yl)methyl]amino}acetate hydrochloride

Structural Information

Molecular Formula
C8H13N3O2
SMILES
CN1C=C(C=N1)CNCC(=O)OC
InChI
InChI=1S/C8H13N3O2/c1-11-6-7(4-10-11)3-9-5-8(12)13-2/h4,6,9H,3,5H2,1-2H3
InChIKey
LTNNSRLBJXESFF-UHFFFAOYSA-N
Compound name
methyl 2-[(1-methylpyrazol-4-yl)methylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.10077 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.108046 139.2
[M+Na]+ 206.089988 147.0
[M-H]- 182.093494 140.3
[M+NH4]+ 201.134593 158.0
[M+K]+ 222.063928 146.2
[M+H-H2O]+ 166.098030 131.7
[M+HCOO]- 228.098971 162.9
[M+CH3COO]- 242.114621 183.0
[M+Na-2H]- 204.075436 144.0
[M]+ 183.10022142 141.5
[M]- 183.10131858 141.5
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.