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

8
Patents

156.16264 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.169916 132.9
[M+Na]+ 179.151858 137.4
[M-H]- 155.155364 132.0
[M+NH4]+ 174.196463 152.3
[M+K]+ 195.125798 138.3
[M+H-H2O]+ 139.159900 126.6
[M+HCOO]- 201.160841 146.9
[M+CH3COO]- 215.176491 175.4
[M+Na-2H]- 177.137306 138.3
[M]+ 156.16209142 123.8
[M]- 156.16318858 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