CID 45092182

532407-11-7

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₂

SMILES

CC(C)(C)OC(=O)NCCNCC1CC1

InChI

InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-7-6-12-8-9-4-5-9/h9,12H,4-8H2,1-3H3,(H,13,14)

InChIKey

SRZQJMXVOPXEIL-UHFFFAOYSA-N

Compound name

tert-butyl N-[2-(cyclopropylmethylamino)ethyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 214.16812 Da
Monoisotopic Mass: 1.2
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]+	215.17540	149.9
[M+Na]+	237.15734	156.0
[M-H]-	213.16084	154.1
[M+NH4]+	232.20194	163.6
[M+K]+	253.13128	153.9
[M+H-H2O]+	197.16538	143.7
[M+HCOO]-	259.16632	172.7
[M+CH3COO]-	273.18197	195.4
[M+Na-2H]-	235.14279	155.1
[M]+	214.16757	153.6
[M]-	214.16867	153.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe