CID 43810641

5-[1-(hydroxyimino)ethyl]-4-methylpyrimidin-2-amine

Structural Information

Molecular Formula
C7H10N4O
SMILES
CC1=NC(=NC=C1/C(=N/O)/C)N
InChI
InChI=1S/C7H10N4O/c1-4-6(5(2)11-12)3-9-7(8)10-4/h3,12H,1-2H3,(H2,8,9,10)/b11-5+
InChIKey
BVEHPLGWBSQSDU-VZUCSPMQSA-N
Compound name
(NE)-N-[1-(2-amino-4-methylpyrimidin-5-yl)ethylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.08546 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.09274 135.1
[M+Na]+ 189.07468 143.8
[M-H]- 165.07818 136.4
[M+NH4]+ 184.11928 152.6
[M+K]+ 205.04862 141.9
[M+H-H2O]+ 149.08272 127.8
[M+HCOO]- 211.08366 158.6
[M+CH3COO]- 225.09931 183.5
[M+Na-2H]- 187.06013 141.4
[M]+ 166.08491 133.6
[M]- 166.08601 133.6
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.