CID 22664672

871235-24-4

Structural Information

Molecular Formula

C₁₀H₂₂N₂O₂

SMILES

CC(C)C(CN)NC(=O)OC(C)(C)C

InChI

InChI=1S/C10H22N2O2/c1-7(2)8(6-11)12-9(13)14-10(3,4)5/h7-8H,6,11H2,1-5H3,(H,12,13)

InChIKey

GKTZYOHYPBQYAX-UHFFFAOYSA-N

Compound name

tert-butyl N-(1-amino-3-methylbutan-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 100
Patents: 202.16812 Da
Monoisotopic Mass: 1.4
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]+	203.17540	151.3
[M+Na]+	225.15734	155.4
[M-H]-	201.16084	150.9
[M+NH4]+	220.20194	169.8
[M+K]+	241.13128	156.0
[M+H-H2O]+	185.16538	146.0
[M+HCOO]-	247.16632	171.4
[M+CH3COO]-	261.18197	192.4
[M+Na-2H]-	223.14279	152.5
[M]+	202.16757	150.9
[M]-	202.16867	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe