CID 23634969

202980-96-9

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₄

SMILES

CC(C)(C)OC(=O)NN(C)C(=O)OC(C)(C)C

InChI

InChI=1S/C11H22N2O4/c1-10(2,3)16-8(14)12-13(7)9(15)17-11(4,5)6/h1-7H3,(H,12,14)

InChIKey

RNBDCZHGBRYMFH-UHFFFAOYSA-N

Compound name

tert-butyl N-methyl-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 246.15796 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	247.165236	157.2
[M+Na]+	269.147178	162.2
[M-H]-	245.150684	159.1
[M+NH4]+	264.191783	175.2
[M+K]+	285.121118	164.9
[M+H-H2O]+	229.155220	152.2
[M+HCOO]-	291.156161	178.4
[M+CH3COO]-	305.171811	199.5
[M+Na-2H]-	267.132626	161.1
[M]+	246.15741142	161.6
[M]-	246.15850858	161.6

Literature stripe

literature stripe

Patent stripe

patents stripe