CID 67491579

881902-47-2

Structural Information

Molecular Formula

C₉H₁₈N₂O₂

SMILES

CC(C)(C)OC(=O)NNCC1CC1

InChI

InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-10-6-7-4-5-7/h7,10H,4-6H2,1-3H3,(H,11,12)

InChIKey

QCUPEIQTNPKBPT-UHFFFAOYSA-N

Compound name

tert-butyl N-(cyclopropylmethylamino)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 186.13683 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]+	187.14411	141.5
[M+Na]+	209.12605	148.5
[M-H]-	185.12955	146.1
[M+NH4]+	204.17065	156.3
[M+K]+	225.09999	146.8
[M+H-H2O]+	169.13409	135.7
[M+HCOO]-	231.13503	165.0
[M+CH3COO]-	245.15068	189.6
[M+Na-2H]-	207.11150	147.7
[M]+	186.13628	144.5
[M]-	186.13738	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe