CID 11206532

135540-96-4

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₂

SMILES

C1C2CC(C(C2)C1CN=C=O)CN=C=O

InChI

InChI=1S/C11H14N2O2/c14-6-12-4-9-1-8-2-10(5-13-7-15)11(9)3-8/h8-11H,1-5H2

InChIKey

FOLVZNOYNJFEBK-UHFFFAOYSA-N

Compound name

2,6-bis(isocyanatomethyl)bicyclo[2.2.1]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3305
Patents: 206.10553 Da
Monoisotopic Mass: 3.6
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]+	207.112806	144.7
[M+Na]+	229.094748	151.6
[M-H]-	205.098254	149.9
[M+NH4]+	224.139353	169.5
[M+K]+	245.068688	149.7
[M+H-H2O]+	189.102790	139.2
[M+HCOO]-	251.103731	171.4
[M+CH3COO]-	265.119381	194.0
[M+Na-2H]-	227.080196	148.8
[M]+	206.10498142	146.0
[M]-	206.10607858	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe