CID 137951622

2-cyclopropyl-5-iodo-4-(methoxymethyl)pyrimidine

Structural Information

Molecular Formula
C9H11IN2O
SMILES
COCC1=NC(=NC=C1I)C2CC2
InChI
InChI=1S/C9H11IN2O/c1-13-5-8-7(10)4-11-9(12-8)6-2-3-6/h4,6H,2-3,5H2,1H3
InChIKey
ALIDAQUCZRFRIE-UHFFFAOYSA-N
Compound name
2-cyclopropyl-5-iodo-4-(methoxymethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.9916 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.998876 149.3
[M+Na]+ 312.980818 153.2
[M-H]- 288.984324 147.4
[M+NH4]+ 308.025423 157.7
[M+K]+ 328.954758 155.4
[M+H-H2O]+ 272.988860 137.8
[M+HCOO]- 334.989801 166.8
[M+CH3COO]- 349.005451 193.6
[M+Na-2H]- 310.966266 144.2
[M]+ 289.99105142 150.6
[M]- 289.99214858 150.6
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.