CID 2735700

75178-96-0

Structural Information

Molecular Formula

C₈H₁₈N₂O₂

SMILES

CC(C)(C)OC(=O)NCCCN

InChI

InChI=1S/C8H18N2O2/c1-8(2,3)12-7(11)10-6-4-5-9/h4-6,9H2,1-3H3,(H,10,11)

InChIKey

POHWAQLZBIMPRN-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-aminopropyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 5509
Patents: 174.13683 Da
Monoisotopic Mass: 0.3
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]+	175.14411	141.8
[M+Na]+	197.12605	147.1
[M-H]-	173.12955	141.5
[M+NH4]+	192.17065	161.5
[M+K]+	213.09999	147.2
[M+H-H2O]+	157.13409	136.6
[M+HCOO]-	219.13503	164.5
[M+CH3COO]-	233.15068	184.5
[M+Na-2H]-	195.11150	146.5
[M]+	174.13628	141.9
[M]-	174.13738	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe