CID 155943485

2027528-63-6

Structural Information

Molecular Formula
C13H28N2O2
SMILES
CC(C)(C)C(CCN(C)C(=O)OC(C)(C)C)N
InChI
InChI=1S/C13H28N2O2/c1-12(2,3)10(14)8-9-15(7)11(16)17-13(4,5)6/h10H,8-9,14H2,1-7H3
InChIKey
QIFZPBNRTKSNLK-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-amino-4,4-dimethylpentyl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.21507 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.222346 162.6
[M+Na]+ 267.204288 166.4
[M-H]- 243.207794 163.5
[M+NH4]+ 262.248893 180.4
[M+K]+ 283.178228 167.7
[M+H-H2O]+ 227.212330 157.4
[M+HCOO]- 289.213271 181.7
[M+CH3COO]- 303.228921 203.7
[M+Na-2H]- 265.189736 164.0
[M]+ 244.21452142 164.7
[M]- 244.21561858 164.7
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.