CID 12204035

2,2,7,7-tetramethyl-1,4-diazepane

Structural Information

Molecular Formula
C9H20N2
SMILES
CC1(CCNCC(N1)(C)C)C
InChI
InChI=1S/C9H20N2/c1-8(2)5-6-10-7-9(3,4)11-8/h10-11H,5-7H2,1-4H3
InChIKey
RFHOUCSLTXCUGO-UHFFFAOYSA-N
Compound name
2,2,7,7-tetramethyl-1,4-diazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

156.16264 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.16992 132.9
[M+Na]+ 179.15186 137.4
[M-H]- 155.15536 132.0
[M+NH4]+ 174.19646 152.3
[M+K]+ 195.12580 138.3
[M+H-H2O]+ 139.15990 126.6
[M+HCOO]- 201.16084 146.9
[M+CH3COO]- 215.17649 175.4
[M+Na-2H]- 177.13731 138.3
[M]+ 156.16209 123.8
[M]- 156.16319 123.8
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