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]+ 239.150246 157.1
[M+Na]+ 261.132188 164.4
[M-H]- 237.135694 158.1
[M+NH4]+ 256.176793 171.9
[M+K]+ 277.106128 162.7
[M+H-H2O]+ 221.140230 149.5
[M+HCOO]- 283.141171 177.9
[M+CH3COO]- 297.156821 196.8
[M+Na-2H]- 259.117636 162.1
[M]+ 238.14242142 157.8
[M]- 238.14351858 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.