CID 155820562

2460749-88-4

Structural Information

Molecular Formula
C11H18N4O2
SMILES
CC1=NC(=NC=C1N)CNC(=O)OC(C)(C)C
InChI
InChI=1S/C11H18N4O2/c1-7-8(12)5-13-9(15-7)6-14-10(16)17-11(2,3)4/h5H,6,12H2,1-4H3,(H,14,16)
InChIKey
LPPPHWGSTRPHPH-UHFFFAOYSA-N
Compound name
tert-butyl N-[(5-amino-4-methylpyrimidin-2-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.14297 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.15025 157.1
[M+Na]+ 261.13219 164.4
[M-H]- 237.13569 158.1
[M+NH4]+ 256.17679 171.9
[M+K]+ 277.10613 162.7
[M+H-H2O]+ 221.14023 149.5
[M+HCOO]- 283.14117 177.9
[M+CH3COO]- 297.15682 196.8
[M+Na-2H]- 259.11764 162.1
[M]+ 238.14242 157.8
[M]- 238.14352 157.8
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.