CID 75124210

Einecs 249-247-8

Structural Information

Molecular Formula
C16H16N4O4
SMILES
C1CC2CC1C3C2C(C(C3)C(N=C=O)N=C=O)C(N=C=O)N=C=O
InChI
InChI=1S/C16H16N4O4/c21-5-17-15(18-6-22)12-4-11-9-1-2-10(3-9)13(11)14(12)16(19-7-23)20-8-24/h9-16H,1-4H2
InChIKey
ZVZTYOCDUNFENN-UHFFFAOYSA-N
Compound name
3,4-bis(diisocyanatomethyl)tricyclo[5.2.1.02,6]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

256
Patents

328.11716 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.12444 172.0
[M+Na]+ 351.10638 176.4
[M-H]- 327.10988 180.3
[M+NH4]+ 346.15098 194.3
[M+K]+ 367.08032 175.0
[M+H-H2O]+ 311.11442 166.1
[M+HCOO]- 373.11536 199.7
[M+CH3COO]- 387.13101 225.0
[M+Na-2H]- 349.09183 173.1
[M]+ 328.11661 174.4
[M]- 328.11771 174.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe